7-(2-But-2-en-2-yl-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl)-4-methylhepta-4,6-dien-3-one
| Internal ID | 8e7bc4ba-6eaf-42fc-87a2-5281465b09e6 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 7-(2-but-2-en-2-yl-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl)-4-methylhepta-4,6-dien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O3/c1-7-15(3)21-18(11-9-10-16(4)20(25)8-2)17-12-13-23(5,26)14-19(17)22-24(21,6)27-22/h7,9-11,17-19,21-22,26H,8,12-14H2,1-6H3 |
| InChI Key | VKXPJJBZNMZKHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O3 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 7-(2-But-2-en-2-yl-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl)-4-methylhepta-4,6-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/24f62fe0-8700-11ee-97a3-07b44d8afef9.jpg "2D Structure of 7-(2-But-2-en-2-yl-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl)-4-methylhepta-4,6-dien-3-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.04% | 83.82% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.46% | 91.24% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.95% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.89% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.02% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.74% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.05% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.45% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.13% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.82% | 97.28% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.34% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.30% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.96% | 82.69% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.91% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.78% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 85109249 |
| LOTUS | LTS0078079 |
| wikiData | Q104199559 |